[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC4=C(C(=C3)OC)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC4=C(C(=C3)OC)OCCO4

InChI

InChI=1S/C21H20N2O5S/c1-13-3-5-15(6-4-13)22-21-23-16(12-29-21)11-28-20(24)14-9-17(25-2)19-18(10-14)26-7-8-27-19/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23)